IngredientID 22305

Ferric oxide

Fe2H6O3

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Trial: 1Herb: 9Ingredient: 1Links: 10

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 22305
Core Entity Id: 27976
Source Entity Count: 1
Preferred Name: Ferric oxide
Name En
Pubchem Id: 14833
Smiles Canonical: O=[Fe]O[Fe]=O
Molecular Formula: Fe2H6O3
Molecular Weight: 159.6870
Inchikey: LIKBJVNGSGBSGK-UHFFFAOYSA-N
Inchi: InChI=1S/2Fe.3H2O/h;;3*1H2
Isomeric Smiles: O.O.O.[Fe].[Fe]
Cas Id
Ob Score
Mol Logp: -0.3614
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 0
Drug Likeness: 0.3560
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Ferric Oxide

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Iron(Iii)Oxide

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ferric Oxide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ferric oxide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ferric oxide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Iron(Iii)Oxide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Iron(iii)oxide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Iron(iii)oxide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

ferric oxide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

1317-60-8

Role

alias

Source

itcmdb_public

Preferred

Name

1317-60-8

Role

alias

Source

HERB_v2

Preferred

Name

Anchred standard

Role

alias

Source

itcmdb_public

Preferred

Name

Anchred standard

Role

alias

Source

HERB_v2

Preferred

Name

Blood stone

Role

alias

Source

HERB_v2

Preferred

Name

Blood stone

Role

alias

Source

itcmdb_public

Preferred

Name

Deanox

Role

alias

Source

itcmdb_public

Preferred

Name

Deanox

Role

alias

Source

HERB_v2

Preferred

Name

Eisenoxyd

Role

alias

Source

HERB_v2

Preferred

Name

Eisenoxyd

Role

alias

Source

itcmdb_public

Preferred

Name

HEMATITE

Role

alias

Source

HERB_v2

Preferred

Name

HEMATITE

Role

alias

Source

itcmdb_public

Preferred

Name

Haematite

Role

alias

Source

itcmdb_public

Preferred

Name

Haematite

Role

alias

Source

HERB_v2

Preferred

Name

Hematite (Fe2O3)

Role

alias

Source

itcmdb_public

Preferred

Name

Hematite (Fe2O3)

Role

alias

Source

HERB_v2

Preferred

Name

Iron ore

Role

alias

Source

itcmdb_public

Preferred

Name

Iron ore

Role

alias

Source

HERB_v2

Preferred

Name

Iron oxide dust

Role

alias

Source

HERB_v2

Preferred

Name

Iron oxide dust

Role

alias

Source

itcmdb_public

Preferred

Name

Iron sesquioxide

Role

alias

Source

itcmdb_public

Preferred

Name

Iron sesquioxide

Role

alias

Source

HERB_v2

Preferred

Name

Iron(III)oxide

Role

alias

Source

TCMBank

Preferred

Name

Quick rouge

Role

alias

Source

itcmdb_public

Preferred

Name

Quick rouge

Role

alias

Source

HERB_v2

Preferred

Name

Raddle

Role

alias

Source

itcmdb_public

Preferred

Name

Raddle

Role

alias

Source

HERB_v2

Preferred

Name

Raphisiderite

Role

alias

Source

HERB_v2

Preferred

Name

Raphisiderite

Role

alias

Source

itcmdb_public

Preferred

Name

Rouge

Role

alias

Source

HERB_v2

Preferred

Name

Rouge

Role

alias

Source

itcmdb_public

Preferred

Name

Specular iron

Role

alias

Source

itcmdb_public

Preferred

Name

Specular iron

Role

alias

Source

HERB_v2

Preferred

Name

Specularite

Role

alias

Source

itcmdb_public

Preferred

Name

Specularite

Role

alias

Source

HERB_v2

Preferred

Name

Synthetic iron oxide

Role

alias

Source

HERB_v2

Preferred

Name

Synthetic iron oxide

Role

alias

Source

itcmdb_public

Preferred

Name

iron oxides

Role

alias

Source

TCMBank

Preferred

Name

iron(3+)

Role

alias

Source

HERB_v2

Preferred

Name

iron(3+)

Role

alias

Source

itcmdb_public

Preferred

Name

oxygen(2-)

Role

alias

Source

HERB_v2

Preferred

Name

oxygen(2-)

Role

alias

Source

itcmdb_public

Preferred

Name

γ--Hiroki mellow

Role

alias

Source

TCMBank

Preferred

Name

Fe2O3

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Fe2o3

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

fe2o3

Role

preferred

Source

TCMBank

Preferred

Yes

Name

12259-21-1

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID70923272

Role

alias

Source

HERB_v2

Preferred

Name

IRON (III) OXIDE MONOHYDRATE, YELLOW

Role

alias

Source

HERB_v2

Preferred

Name

Iron oxide (Fe203), hydrate

Role

alias

Source

HERB_v2

Preferred

Name

Iron oxide (Fe2O3), hydrate

Role

alias

Source

HERB_v2

Preferred

Name

Iron(3+)ato oxido--waterato (2/3/1)

Role

alias

Source

itcmdb_public

Preferred

Name

Iron(III) oxide hydrate

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00149717

Role

alias

Source

HERB_v2

Preferred

Name

hydrate

Role

alias

Source

itcmdb_public

Preferred

Name

iron (III) oxide monohydrate

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

Iron(Iii)Oxide1317-60-8Anchred standardBlood stoneDeanoxEisenoxydHEMATITEHaematiteHematite (Fe2O3)Iron oreIron oxide dustIron sesquioxideQuick rougeRaddleRaphisideriteRougeSpecular ironSpeculariteSynthetic iron oxideiron oxidesiron(3+)oxygen(2-)γ--Hiroki mellowFe2O312259-21-1DTXSID70923272IRON (III) OXIDE MONOHYDRATE, YELLOWIron oxide (Fe203), hydrateIron oxide (Fe2O3), hydrateIron(3+)ato oxido--waterato (2/3/1)Iron(III) oxide hydrateMFCD00149717hydrateiron (III) oxide monohydrate

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN026456HBIN030349HBIN030351HBIN049134HBIN026416

Tcmid

2378224096331443458823482

Sym Map

SMIT23929SMIT24615SMIT23916

Tcm Id

4381

Pub Chem

148335684193451869661560

Tcmbank

TCMBANKIN057909TCMBANKIN061951TCMBANKIN004505

Itcmdb Generated

ITX-INGREDIENT-E0F5404B06F1ITX-INGREDIENT-E588F023EE97ITX-INGREDIENT-FF6F51B449D0

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/2Fe.3H2O/h;;3*1H2InChI=1S/2Fe.3O/q2*+3;3*-2

Mol Wt

159.687165.735

Smiles

O=[Fe]O[Fe]=O[O-2].[O-2].[O-2].[Fe+3].[Fe+3]

Mol Log P

-0.3614-2.4791

Version

In Ch Ikey

LIKBJVNGSGBSGK-UHFFFAOYSA-NYOBAEOGBNPPUQV-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.3560.433

Num Hacceptors

Isomeric Smiles

O.O.O.[Fe].[Fe][O-2].[O-2].[O-2].[Fe+3].[Fe+3]

Canonical Smiles

O.O.O.[Fe].[Fe][O-2].[O-2].[O-2].[Fe+3].[Fe+3]

Herb Alias Names

Synthetic iron oxideEisenoxydDeanoxRaddleRougeSpecular ironQuick rougeAnchred standardIron sesquioxideIron oxide dust

Molecular Weight

159.69 g/mol

Molecular Formula

Fe2O3

Molecular Formula

Fe2H6O3Fe2O3

Num Rotatable Bonds